Methyl 3-(1H-indol-3-yl)-2-oxopropanoate
TL;DR: Methyl 3-(1H-indol-3-yl)-2-oxopropanoate (CAS 7417-64-3) is a chemical compound with molecular formula C12H11NO3 and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(1H-indol-3-yl)-2-oxopropanoate
Also Known As: methyl 3-indolepyruvate, methyl-3-indolepyruvate, Methyl 3-(1H-indol-3-yl)-2-oxopropanoate, INDOLE-3-PYRUVIC ACID METHYL ESTER, 3-(indol-3-yl)pyruvic acid methyl ester
| Molecular Formula | C12H11NO3 |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 59.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 217.0739 |
| Heavy Atoms | 16 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 7417-64-3 |
|---|---|
| SMILES | COC(=O)C(=O)CC1=CNC2=CC=CC=C21 |
| InChIKey | LEYBGKPXYOVLSP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-(1H-indol-3-yl)-2-oxopropanoate (CAS 7417-64-3), with molecular formula C12H11NO3 and molecular weight 217.07 g/mol. IUPAC: methyl 3-(1H-indol-3-yl)-2-oxopropanoate.
Chemical Property Profile of Methyl 3-(1H-indol-3-yl)-2-oxopropanoate
Property Insights of Methyl 3-(1H-indol-3-yl)-2-oxopropanoate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(1H-indol-3-yl)-2-oxopropanoate. With a topological polar surface area (TPSA) of 59.2 Ų, Methyl 3-(1H-indol-3-yl)-2-oxopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(1H-indol-3-yl)-2-oxopropanoate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 3-(1H-indol-3-yl)-2-oxopropanoate?
The CAS number of Methyl 3-(1H-indol-3-yl)-2-oxopropanoate is 7417-64-3.
What is the molecular formula of Methyl 3-(1H-indol-3-yl)-2-oxopropanoate?
The molecular formula of Methyl 3-(1H-indol-3-yl)-2-oxopropanoate is C12H11NO3.
What is the molecular weight of Methyl 3-(1H-indol-3-yl)-2-oxopropanoate?
The molecular weight of Methyl 3-(1H-indol-3-yl)-2-oxopropanoate is 217.07 g/mol.
Where can I buy Methyl 3-(1H-indol-3-yl)-2-oxopropanoate?
You can request a quote for Methyl 3-(1H-indol-3-yl)-2-oxopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(1H-indol-3-yl)-2-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(1H-indol-3-yl)-2-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.